Journal of Analytical Methods in Chemistry

Research Article

Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques

Table 3

Comparative statistics between 14 compounds represented by 14 regression models (SCM) and 14 compounds represented one regression model (MCM).


Compounds	n¹	Bias				SEE		SEP		Consistency³		R²				Intercept				Slope
		C_set²		V_set		C_set		V_set		Consistency³		C_set		V_set		C_set		V_set		C_set		V_set
		SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM	SCM	MCM

C1	52/26	0	0	−0.01	−0.03	0.23	0.28	0.23	0.29	98.9	94.5	0.85	0.76	0.85	0.74	0.25	0.38	0.28	0.42	0.72	0.58	0.69	0.57
C2	52/26	0	0	−0.02	−0.02	0.14	0.18	0.16	0.19	90.23	93.33	0.93	0.88	0.91	0.86	0.07	0.12	0.11	0.17	0.86	0.77	0.81	0.71
C3	52/26	0	0	0.01	−0.01	0.11	0.2	0.16	0.22	72.03	90.95	0.98	0.92	0.96	0.91	0.03	0.1	−0.01	0.11	0.95	0.85	0.99	0.86
C4	52/26	0	0	0	0.02	0.52	0.61	0.65	0.82	80.07	74.76	0.98	0.98	0.98	0.96	0.09	0.13	0.12	0.14	0.97	0.96	0.96	0.94
C5	52/26	0	0	−0.23	−0.25	1.07	1.29	1.16	1.37	92.91	94.07	0.85	0.78	0.83	0.75	1.21	1.74	1.69	2.23	0.72	0.6	0.67	0.55
C6	52/26	0	0	0.05	0.04	0.09	0.46	0.21	0.48	40	95.91	0.99	0.81	0.96	0.8	0.01	0.41	0.02	0.39	0.99	0.66	0.94	0.64
C7	52/26	0	0	−0.11	−0.1	0.48	0.7	0.62	0.73	77.53	96.37	0.9	0.78	0.84	0.76	0.38	0.82	0.68	0.97	0.82	0.6	0.72	0.58
C8	52/26	0	0	−0.12	−0.07	0.47	0.56	0.58	0.75	80.88	75.39	0.98	0.97	0.97	0.95	0.09	0.13	0.24	0.22	0.96	0.95	0.95	0.94
C9	52/26	0	0	−0.15	−0.17	0.15	0.82	0.66	0.83	23.09	99.02	0.99	0.73	0.85	0.73	0.05	1.31	0.59	1.58	0.98	0.53	0.84	0.5
C10	52/26	0	0	−0.12	−0.12	0.33	0.45	0.37	0.47	88.85	94.88	0.92	0.84	0.9	0.83	0.33	0.62	0.64	0.86	0.85	0.71	0.76	0.66
C11	52/26	0	0	−0.08	−0.1	0.09	0.36	0.32	0.37	28.57	98.91	0.99	0.77	0.84	0.77	0.03	0.5	0.29	0.66	0.97	0.59	0.83	0.54
C12	52/26	0	0	−0.07	−0.1	0.44	0.54	0.47	0.57	93.21	95.83	0.85	0.77	0.83	0.75	0.51	0.77	0.62	0.94	0.73	0.59	0.7	0.55
C13	52/26	0	0	−0.17	−0.13	0.69	0.85	0.82	0.9	84.45	94.32	0.86	0.79	0.81	0.77	0.73	1.1	1.31	1.59	0.75	0.62	0.61	0.5
C14	52/26	0	0	−0.15	−0.09	0.07	0.59	0.48	0.63	15.37	94.47	1	0.85	0.91	0.84	0.01	0.57	0.37	0.62	1	0.73	0.89	0.74

Mean		0	0	−0.08	−0.08	0.35	0.56	0.49	0.62	69.01	92.34	0.93	0.83	0.89	0.82	0.27	0.62	0.5	0.78	0.88	0.7	0.81	0.66
SD		0	0	0.08	0.08	0.29	0.29	0.28	0.32	29.01	7.6	0.06	0.08	0.06	0.08	0.35	0.49	0.49	0.64	0.11	0.14	0.12	0.15
SE		0	0	0.02	0.02	0.08	0.08	0.08	0.08	7.75	2.03	0.02	0.02	0.02	0.02	0.09	0.13	0.13	0.17	0.03	0.04	0.03	0.04

Mean paired differences				0		−0.22		−0.12		−23.33		0.1		0.07		−0.35		−0.28		0.18		0.15
T				−0.37		−4.29		−6.72		−2.72		5.1		7.12		−4.07		−4.14		5.1		5.7
Sig. (2-tailed)				0.72		0⁵		0⁵		0.02⁴		0⁵		0⁵		0⁵		0⁵		0⁵		0⁵

¹Number of samples in the calibration set/number of samples in the validation set; ²a test of variances cannot be performed for c-set bias because the sum of weights is zero, ³consistency = (SEE/SEP)100; ⁴the mean difference is significant at the 0.05 level; ⁵the mean difference is significant at the 0.01 level.